Glycoside
GD005068
Name:
NoneFormula:
C18H28O4N6Smiles:
CCC(CC)Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)NC=O.CCC(CC)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.46 | Num_heavy_atoms: | 28 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD02935
Formula: C10H14N5
Smiles:
CCC(CC)Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.26 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD04342
Formula: C4H9ON
Smiles:
CC(C)NC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
